CID 175292296

C9H9Br4O2Si — CID 175292296

IUPAC—
SMILESBrOc1ccc(Br)c(Br)c1Br.CCCO[Si]
InChIInChI=1S/C6H2Br4O.C3H7OSi/c7-3-1-2-4(11-10)6(9)5(3)8;1-2-3-4-5/h1-2H;2-3H2,1H3
InChIKeyQPFVYDHALVEOGW-UHFFFAOYSA-N
MW496.87 g/mol
LogP5.16
Rot. Bonds3

About CID 175292296

CID 175292296 (PubChem CID 175292296) has the molecular formula C9H9Br4O2Si and a molecular weight of 496.87 g/mol.

Molecular Properties

Compound NameCID 175292296
PubChem CID175292296
Molecular FormulaC9H9Br4O2Si
Molecular Weight496.87 g/mol
Exact Mass492.71
IUPAC Name—
SMILESBrOc1ccc(Br)c(Br)c1Br.CCCO[Si]
InChIInChI=1S/C6H2Br4O.C3H7OSi/c7-3-1-2-4(11-10)6(9)5(3)8;1-2-3-4-5/h1-2H;2-3H2,1H3
InChIKeyQPFVYDHALVEOGW-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.87
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175292296?
The IUPAC name of CID 175292296 (CID 175292296) is not available.
What is the SMILES notation for CID 175292296?
The canonical SMILES for CID 175292296 is BrOc1ccc(Br)c(Br)c1Br.CCCO[Si].
What is the InChIKey of CID 175292296?
The InChIKey is QPFVYDHALVEOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br4O.C3H7OSi/c7-3-1-2-4(11-10)6(9)5(3)8;1-2-3-4-5/h1-2H;2-3H2,1H3.
What are the key properties of CID 175292296?
CID 175292296 has a molecular weight of 496.87 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175292296 is sourced from PubChem (CID 175292296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).